(3E,5E,7E)-trideca-3,5,7-trienenitrile

C13H19N — CID 101282404

IUPAC(3E,5E,7E)-trideca-3,5,7-trienenitrile
SMILESCCCCC/C=C/C=C/C=C/CC#N
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-11H,2-5,12H2,1H3/b7-6+,9-8+,11-10+
InChIKeyIEWQIDBYLZCGBA-OBWVEWQSSA-N
MW189.30 g/mol
LogP4.15
Rot. Bonds7

About (3E,5E,7E)-trideca-3,5,7-trienenitrile

(3E,5E,7E)-trideca-3,5,7-trienenitrile (PubChem CID 101282404) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3E,5E,7E)-trideca-3,5,7-trienenitrile.

Molecular Properties

Compound Name(3E,5E,7E)-trideca-3,5,7-trienenitrile
PubChem CID101282404
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3E,5E,7E)-trideca-3,5,7-trienenitrile
SMILESCCCCC/C=C/C=C/C=C/CC#N
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-11H,2-5,12H2,1H3/b7-6+,9-8+,11-10+
InChIKeyIEWQIDBYLZCGBA-OBWVEWQSSA-N
XLogP4.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E,8E)-tetradeca-3,5,8-trienenitrile
CID 101282497
(Z)-pentadec-3-enenitrile
CID 139591512
(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535
(2E,4Z,6Z)-octadeca-2,4,6-trienenitrile
CID 21158547
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545
(22E)-heptatetraconta-22,24-diene
CID 56629131
pentadeca-3,5,7,9-tetraene
CID 151958393
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
(6E)-octadeca-4,6-diene
CID 173243345
(2Z)-deca-2,4-dienal
CID 87792972

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-trideca-3,5,7-trienenitrile?
The IUPAC name of (3E,5E,7E)-trideca-3,5,7-trienenitrile (CID 101282404) is (3E,5E,7E)-trideca-3,5,7-trienenitrile.
What is the SMILES notation for (3E,5E,7E)-trideca-3,5,7-trienenitrile?
The canonical SMILES for (3E,5E,7E)-trideca-3,5,7-trienenitrile is CCCCC/C=C/C=C/C=C/CC#N.
What is the InChIKey of (3E,5E,7E)-trideca-3,5,7-trienenitrile?
The InChIKey is IEWQIDBYLZCGBA-OBWVEWQSSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-11H,2-5,12H2,1H3/b7-6+,9-8+,11-10+.
What are the key properties of (3E,5E,7E)-trideca-3,5,7-trienenitrile?
(3E,5E,7E)-trideca-3,5,7-trienenitrile has a molecular weight of 189.30 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-trideca-3,5,7-trienenitrile is sourced from PubChem (CID 101282404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).